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(Q82860501)
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English
1-ethyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpyrrolidine-2-carboxamide tautomer
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
420.2294078719999
dalton
1 reference
based on heuristic
inferred from SMILES
tautomer of
1-ethyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpyrrolidine-2-carboxamide
0 references
chemical formula
C₁₉H₃₆N₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(CC)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H36N2O6S/c1-5-7-11-8-12(21(6-2)9-11)18(26)20-13(10(3)22)17-15(24)14(23)16(25)19(27-17)28-4/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26)
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InChIKey
BGIBVNTYTUVJAD-UHFFFAOYSA-N
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CAS Registry Number
2256-17-9
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PubChem CID
31858
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
DSSTox substance ID
DTXSID00878463
0 references
DSSTOX compound identifier
DTXCID70876092
0 references
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